SCHEMBL6658151

SCHEMBL6658151

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNC(C)c2ncc[nH]2)c2ccccc12)C(=O)NCCCOC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PADI4 Q9UM07 2/20 0.32
PADI2 Q9Y2J8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
FNTA P49354 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6657259 0.86 TACR3 (0.41) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6653685 0.85 CXCR4 (0.40) GAALMNATP53ALDH1A1DRD2
SCHEMBL6658155 0.82 MEN1 (0.34) GAAMEN1KMT2ALMNATP53
SCHEMBL6019494 0.78 FNTA (0.43) ALDH1A1POLBMAPTFNTAFNTB
SCHEMBL6652952 0.77 CXCR4 (0.41) KMT2ADRD2DRD4DRD3PADI4
SCHEMBL6789479 0.77 FNTA (0.41) PADI4PADI2FNTAFNTBPGGT1B
SCHEMBL6659666 0.76 HDAC3 (0.46) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6017968 0.76 CXCR4 (0.44) FNTAFNTBPGGT1B
SCHEMBL6657754 0.75 CXCR4 (0.41) FNTAFNTBPGGT1B
SCHEMBL6652954 0.74 CXCR4 (0.49) GAALMNATP53ALDH1A1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 GAA 4523/4885MEN1 575/4885KMT2A 1751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.